Molecule

ID:110285

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c1-3-6(2)4-5-7/h7H,3-5H2,1-2H3
InChIKey
UWKDZWSATBBGBN-UHFFFAOYSA-N
Canonic Smiles
OCCN(CC)C
Isomeric Smiles
CCN(C)CCO
Calculated Properties
JChem
Acid pKa
15.593851
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.464008
LogD (pH = 7.4)
-2.0273108
Log P
-0.1431246
Molar Refractivity
31.029
Polarizability
12.084012
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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